N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C10H9BrN2O3S2 — CID 60712767

IUPACN-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C10H9BrN2O3S2/c1-6-9(17-10(14)12-6)18(15,16)13-8-5-3-2-4-7(8)11/h2-5,13H,1H3,(H,12,14)
InChIKeyDTFGLEXGYAQWSB-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.31
Rot. Bonds3

About N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60712767) has the molecular formula C10H9BrN2O3S2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60712767
Molecular FormulaC10H9BrN2O3S2
Molecular Weight349.23 g/mol
Exact Mass347.92
IUPAC NameN-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C10H9BrN2O3S2/c1-6-9(17-10(14)12-6)18(15,16)13-8-5-3-2-4-7(8)11/h2-5,13H,1H3,(H,12,14)
InChIKeyDTFGLEXGYAQWSB-UHFFFAOYSA-N
XLogP2.31
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60712767) is N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is DTFGLEXGYAQWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3S2/c1-6-9(17-10(14)12-6)18(15,16)13-8-5-3-2-4-7(8)11/h2-5,13H,1H3,(H,12,14).
What are the key properties of N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 349.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60712767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).